fluoromethane;2-methylpropane;1,1,1-trifluoropropane

C8H18F4 — CID 161219441

IUPACfluoromethane;2-methylpropane;1,1,1-trifluoropropane
SMILESCC(C)C.CCC(F)(F)F.CF
InChIInChI=1S/C4H10.C3H5F3.CH3F/c1-4(2)3;1-2-3(4,5)6;1-2/h4H,1-3H3;2H2,1H3;1H3
InChIKeyUXHSDZKAUFQDCC-UHFFFAOYSA-N
MW190.22 g/mol
LogP4.21
Rot. Bonds

About fluoromethane;2-methylpropane;1,1,1-trifluoropropane

fluoromethane;2-methylpropane;1,1,1-trifluoropropane (PubChem CID 161219441) has the molecular formula C8H18F4 and a molecular weight of 190.22 g/mol. Its IUPAC name is fluoromethane;2-methylpropane;1,1,1-trifluoropropane.

Molecular Properties

Compound Namefluoromethane;2-methylpropane;1,1,1-trifluoropropane
PubChem CID161219441
Molecular FormulaC8H18F4
Molecular Weight190.22 g/mol
Exact Mass190.13
IUPAC Namefluoromethane;2-methylpropane;1,1,1-trifluoropropane
SMILESCC(C)C.CCC(F)(F)F.CF
InChIInChI=1S/C4H10.C3H5F3.CH3F/c1-4(2)3;1-2-3(4,5)6;1-2/h4H,1-3H3;2H2,1H3;1H3
InChIKeyUXHSDZKAUFQDCC-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,3-dimethyl-3-(trifluoromethyl)pentane
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Frequently Asked Questions

What is the IUPAC name of fluoromethane;2-methylpropane;1,1,1-trifluoropropane?
The IUPAC name of fluoromethane;2-methylpropane;1,1,1-trifluoropropane (CID 161219441) is fluoromethane;2-methylpropane;1,1,1-trifluoropropane.
What is the SMILES notation for fluoromethane;2-methylpropane;1,1,1-trifluoropropane?
The canonical SMILES for fluoromethane;2-methylpropane;1,1,1-trifluoropropane is CC(C)C.CCC(F)(F)F.CF.
What is the InChIKey of fluoromethane;2-methylpropane;1,1,1-trifluoropropane?
The InChIKey is UXHSDZKAUFQDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H5F3.CH3F/c1-4(2)3;1-2-3(4,5)6;1-2/h4H,1-3H3;2H2,1H3;1H3.
What are the key properties of fluoromethane;2-methylpropane;1,1,1-trifluoropropane?
fluoromethane;2-methylpropane;1,1,1-trifluoropropane has a molecular weight of 190.22 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;2-methylpropane;1,1,1-trifluoropropane is sourced from PubChem (CID 161219441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).